1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione

C12H19NO3 — CID 11322085

IUPAC1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1CCC(C2CC(=O)N(CC)C2=O)O1
InChIInChI=1S/C12H19NO3/c1-3-8-5-6-10(16-8)9-7-11(14)13(4-2)12(9)15/h8-10H,3-7H2,1-2H3
InChIKeyQRXJMZSXKQDMOQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione

1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione (PubChem CID 11322085) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione
PubChem CID11322085
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1CCC(C2CC(=O)N(CC)C2=O)O1
InChIInChI=1S/C12H19NO3/c1-3-8-5-6-10(16-8)9-7-11(14)13(4-2)12(9)15/h8-10H,3-7H2,1-2H3
InChIKeyQRXJMZSXKQDMOQ-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione (CID 11322085) is 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione is CCC1CCC(C2CC(=O)N(CC)C2=O)O1.
What is the InChIKey of 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is QRXJMZSXKQDMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-8-5-6-10(16-8)9-7-11(14)13(4-2)12(9)15/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione?
1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-ethyloxolan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 11322085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).